AromaDb: A Database of Plant's Aroma Molecules

2-Amylfuran Details

: IUPAC Name
2-Pentylfuran
:Chemical Class
:CAS Registry Number
2294-76-0
:Description

:Fragrance Type
Fruity aroma??

Physical and Chemical properties

PUBCHEM ID19602
Molecular Weight (mg/mol)138.211
Molecular FormulaC10H15N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
IUPAC Name2-Pentylfuran
Canonical SMILESCCCCCc1ccccn1
PUBCHEM IUPAC INCHIKEYHSDXVAOHEOSTFZ-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-0.581

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA29.46
BBB Level1
Absorption Level0
EXT PPB#Prediction1
AlogP983.114
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDASingle-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD503.45073
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 2294-76-0
2 2294-76-0
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 2294-76-0 2-Amylfuran

Compound Image


2D Structure

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